2-chloro-4-fluoro-N-[[5-[(S)-hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]benzamide

C17H13ClFNO2S2 — CID 99882670

IUPAC2-chloro-4-fluoro-N-[[5-[(S)-hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]benzamide
SMILESO=C(NCc1ccc([C@@H](O)c2ccsc2)s1)c1ccc(F)cc1Cl
InChIInChI=1S/C17H13ClFNO2S2/c18-14-7-11(19)1-3-13(14)17(22)20-8-12-2-4-15(24-12)16(21)10-5-6-23-9-10/h1-7,9,16,21H,8H2,(H,20,22)/t16-/m0/s1
InChIKeyWSGIWDNAHPWGFM-INIZCTEOSA-N
MW381.88 g/mol
LogP4.61
Rot. Bonds5

About 2-chloro-4-fluoro-N-[[5-[(S)-hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]benzamide

2-chloro-4-fluoro-N-[[5-[(S)-hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]benzamide (PubChem CID 99882670) has the molecular formula C17H13ClFNO2S2 and a molecular weight of 381.88 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-[[5-[(S)-hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]benzamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-[[5-[(S)-hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]benzamide
PubChem CID99882670
Molecular FormulaC17H13ClFNO2S2
Molecular Weight381.88 g/mol
Exact Mass381.01
IUPAC Name2-chloro-4-fluoro-N-[[5-[(S)-hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]benzamide
SMILESO=C(NCc1ccc([C@@H](O)c2ccsc2)s1)c1ccc(F)cc1Cl
InChIInChI=1S/C17H13ClFNO2S2/c18-14-7-11(19)1-3-13(14)17(22)20-8-12-2-4-15(24-12)16(21)10-5-6-23-9-10/h1-7,9,16,21H,8H2,(H,20,22)/t16-/m0/s1
InChIKeyWSGIWDNAHPWGFM-INIZCTEOSA-N
XLogP4.61
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.88
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]-2-methylsulfanylbenzamide
CID 121133764
2-(2-chlorophenyl)-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]acetamide
CID 121133766
2,5-difluoro-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]benzenesulfonamide
CID 121133885
2,4-dichloro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzamide
CID 90583522
1-(2,6-difluorophenyl)-3-[[5-[(S)-hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]urea
CID 99882742
N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]cyclopropanecarboxamide
CID 121133703
N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]-3,4-dimethoxybenzamide
CID 121133783
2-(2,4-dichlorophenoxy)-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]acetamide
CID 73167871
N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]-2-methyl-3-nitrobenzamide
CID 121133775
2-chloro-4-fluoro-N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]benzamide
CID 129354884
N'-(3,5-dimethylphenyl)-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]oxamide
CID 121133966
2-(3,4-dimethoxyphenyl)-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]acetamide
CID 121133805

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-[[5-[(S)-hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]benzamide?
The IUPAC name of 2-chloro-4-fluoro-N-[[5-[(S)-hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]benzamide (CID 99882670) is 2-chloro-4-fluoro-N-[[5-[(S)-hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]benzamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-[[5-[(S)-hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]benzamide?
The canonical SMILES for 2-chloro-4-fluoro-N-[[5-[(S)-hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]benzamide is O=C(NCc1ccc([C@@H](O)c2ccsc2)s1)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-4-fluoro-N-[[5-[(S)-hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]benzamide?
The InChIKey is WSGIWDNAHPWGFM-INIZCTEOSA-N. The full InChI is InChI=1S/C17H13ClFNO2S2/c18-14-7-11(19)1-3-13(14)17(22)20-8-12-2-4-15(24-12)16(21)10-5-6-23-9-10/h1-7,9,16,21H,8H2,(H,20,22)/t16-/m0/s1.
What are the key properties of 2-chloro-4-fluoro-N-[[5-[(S)-hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]benzamide?
2-chloro-4-fluoro-N-[[5-[(S)-hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]benzamide has a molecular weight of 381.88 g/mol, XLogP of 4.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-[[5-[(S)-hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]benzamide is sourced from PubChem (CID 99882670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).